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How accurate are the P450 models?

Tuesday, 29 September 2009 21:30
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Matt Segall

The accuracies of the models for each isoform when tested on independent test sets are shown below:

Results of the P450 Regioselectivity Models on independent test sets

Isoform N * Top-2** Top-3** All Top-3
CYP3A4 352 84.5% 90.5% 53.6%
CYP2D6 221 91.1% 92.9% 71.4%
CYP2C9 222 85.7% 93.9% 75.5%
CYP1A2 238 87.7% 89.5% 64.9%
CYP2C8 114 81.5% 92.6% 70.4%
CYP2C19 213 85.7% 89.8% 69.4%
CYP2E1 134 90% 93.3% 80%

* N = number of compounds in independent test set.
** Observed metabolites in the top 2/3 predicted sites

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Last Updated on Tuesday, 16 February 2016 16:44  
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